1-{(3S,4R,5S)-4-Hydroxy-5-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-tetrahydro-furan-3-yl}-1H-pyrimidine-2,4-dione | 1053699-82-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-{(3S,4R,5S)-4-Hydroxy-5-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-tetrahydro-furan-3-yl}-1H-pyrimidine-2,4-dione
• 英文别名: 1-[(3S,4R,5S)-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl]pyrimidine-2,4-dione
• CAS: 1053699-82-3
• 化学式: C₂₉H₂₈N₂O₆
• 分子量: 500.551
• InChiKey: ROPLTRJSSJRPRL-OHSXHVKISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  97.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-{(3S,4R,5S)-4-Hydroxy-5-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-tetrahydro-furan-3-yl}-1H-pyrimidine-2,4-dione 在 吡啶 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 24.34h， 生成 [(2S,3R,4S)-4-(2,4-dioxopyrimidin-1-yl)-2-[(4-oxo-1,3,2-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] acetate
  参考文献：
  名称：

  Synthesis of Isonucleoside 5′-Triphosphates

  摘要：

  A series of isonucleoside 5'-triphosphates were synthesized via a rapid and efficient method. The structures of the triphosphates (8a-8d) were characterized by (PNMR)-P-31 and TOF-MS.

  DOI：

  10.1081/scc-120020202
• 作为产物：
  描述：

  3'-(S)-(uracil-1-yl)-4'-(R)-hydroxy-5'-(S)-hydroxymethyl-tetrahydrofuran 、 4-甲氧基三苯基氯甲烷 在 吡啶 作用下， 反应 48.0h， 生成 1-{(3S,4R,5S)-4-Hydroxy-5-[(4-methoxy-phenyl)-diphenyl-methoxymethyl]-tetrahydro-furan-3-yl}-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of Isonucleoside 5′-Triphosphates

  摘要：

  A series of isonucleoside 5'-triphosphates were synthesized via a rapid and efficient method. The structures of the triphosphates (8a-8d) were characterized by (PNMR)-P-31 and TOF-MS.

  DOI：

  10.1081/scc-120020202

文献信息

• Synthesis of Isonucleoside 5′-Triphosphates
  作者：Kuiying Xu、Jimei Min、Lihe Zhang

  DOI：10.1081/scc-120020202

  日期：2003.6

  A series of isonucleoside 5'-triphosphates were synthesized via a rapid and efficient method. The structures of the triphosphates (8a-8d) were characterized by (PNMR)-P-31 and TOF-MS.